@Article{boecker12comment,
  author    = {Sebastian B\"ocker},
  title     = {Comment on ''{An} Efficient Method to Calculate the Aggregated Isotopic Distribution and Exact Center-Masses'' by {Claesen} et al.},
  journal   = {J Am Soc Mass Spectrom},
  year      = {2012},
  volume    = {23},
  number    = {10},
  pages     = {1826--1827},
  abstract  = {Claesen et al. recently presented an efficient method for computing the isotope pattern of a molecule, that is, both the isotope distribution and the center masses (also called "probability-weighted masses" and "aggregated isotopic variants) of the isotope peaks. They favorably compare their approach against five other methods for simulating isotope patterns: Their tool BRAIN is more accurate than any other tool, and computation times are well below one second even for huge molecules of mass above 533403 Da and when computing 1325 peak masses. Unfortunately, the authors fail to mention SIRIUS that is capable of performing such calculations, too.},
  doi       = {10.1007/s13361-012-0402-2},
  file      = {Boecker_CommentEfficientMethod_JASMS_2012_preprint.pdf:2012/Boecker_CommentEfficientMethod_JASMS_2012_preprint.pdf:PDF},
  keywords  = {jena; linkpdf; IDUN; Mass Spectrometry; MS; isotope pattern; isotope pattern analysis; SIRIUS},
  owner     = {Sebastian},
  pmid      = {22673835},
  timestamp = {2012.04.25},
}

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